Ligand clusters for UniProt code P03951

Ligand clusters for P03951: Coagulation factor XI from Homo sapiens

		Top 6 (of 27) ligand clusters Cluster 1. 87 ligand types 230 ligands Cluster 2. 6 ligand types 8 ligands Cluster 3. 13 ligand types 77 ligands Cluster 4. 8 ligand types 57 ligands Cluster 5. 5 ligand types 73 ligands Cluster 6. 3 ligand types 41 ligands
Representative protein: 5i25A

Structures

PDB		Schematic diagram
5i25A
5eodA
6i58A
2f83A
5eokA
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Cluster 1 contains 87 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 15 glycerin Glycerol PDB codes: 4cra(A), 4crb(A), 4crf(A), 4crg(A), 4d76(A), 4d7f(A), 4d7g(A), 4x6p(A), 6aod(C).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6ts5(A).
		3. Ligand: EDO × 107 1,2-Ethanediol PDB codes: 4ty6(A), 4ty7(A), 4x6m(A), 4x6n(A), 4x6o(A), 4y8x(A), 4y8y(A), 4y8z(A), 5e2o(A), 5e2p(A), 5exl(A), 5exm(A), 5q0d(A), 5q0e(A), 5q0f(A), 5q0g(A), 5q0h(A), 5qck(A), 5qcl(A), 5qcm(A), 5qcn(A), 5qqo(A), 5qtt(A), 5qtu(A), 5qtv(A), 5qtw(A), 5qtx(A), 5qty(A), 5tks(A), 5tkt(A), 5tku(A), 5wb6(A), 6c0s(A), 6w50(A),
		4. Ligand: SO4 × 19 Sulfate ion PDB codes: 1zlr(A), 1zmn(A), 1zrk(A), 1zsj(A), 1zsk(A), 1ztk(A), 1ztl(A), 2fda(A), 3bg8(A), 4cr5(A), 4cr9(A), 4cre(A), 4na7(A), 6w50(A).
		5. Ligand: BEN × 4 Benzamidine PDB codes: 1zhm(A), 1zhp(A), 1zhr(A), 3bg8(A).
		6. Ligand: 7P0 × 2 N-[(1s)-1-Benzyl-2-[2-[5-Chloro-2-(Tetrazol- 1-Yl)phenyl]ethylamino]-2-Oxo-Ethyl]-4- Hydroxy-2- Oxo-1h-Quinoline-6-Carboxamide PDB codes: 4crb(A), 5e2p(A).
		7. Ligand: ACN × 2 Acetone PDB codes: 6twc(A),
		8. Ligand: 0TU × 1 6-Chloroquinolin-2(1h)-One PDB code: 4cr5(A).
		9. Ligand: 1T5 × 1 3'-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-1,2,3,4- Tetrahydroquinolin-2-Yl]-4-Carbamoyl-5'-[(3- Methylbutanoyl)amino]biphenyl-2-Carboxylic acid PDB code: 4na7(A).
		10. Ligand: 1T6 × 1 5-Aminocarbonyl-2-[3-[(2s,4r)-6-Carbamimidoyl-4-Methyl- 4-Phenyl-2,3-Dihydro-1h-Quinolin-2- Yl]phenyl]benzoic acid PDB code: 4na8(A).
		11. Ligand: 339 × 1 (S)-2-(3-((R)-1-(4-Bromophenyl)ethyl)ureido)-N-((S)-1- ((S)-5-Guanidino-1-Oxo-1-(Thiazol-2- Yl)pentan-2- Ylamino)-3-Methyl-1-Oxobutan-2-Yl)-5-Ureidopentanamide PDB code: 1zom(A).
		12. Ligand: 367 × 1 3-Hydroxypropyl 3-[({7-[Amino(imino)methyl]-1- Naphthyl}amino)carbonyl]benzenesulfonate PDB code: 1zrk(A).
		13. Ligand: 368 × 1 (1r)-2-{[Amino(imino)methyl]amino}-1-{4-[(4r)-4- (Hydroxymethyl)-1,3,2-Dioxaborolan-2- Yl]phenyl}ethyl nicotinate PDB code: 1zlr(A).
		14. Ligand: 39D × 1 4-{2-[(1s)-1-({[Trans-4-(Aminomethyl) cyclohexyl]carbonyl}amino)-2-Phenylethyl]-1h-Imidazol- 4- Yl}benzamide PDB code: 4ty6(A).
		15. Ligand: 39F × 1 Trans-N-{(1s)-1-[4-(3-Amino-2h-Indazol-6-Yl)-5-Chloro- 1h-Imidazol-2-Yl]-2-Phenylethyl}-4- (Aminomethyl) cyclohexane-1-Carboxamide PDB code: 4ty7(A).
		16. Ligand: 3VM × 1 Trans-N-{(1s)-1-[4-(3-Amino-2h-Indazol-6-Yl)pyridin-2- Yl]-2-Phenylethyl}-4- (Aminomethyl) cyclohexanecarboxamide PDB code: 4wxi(A).
		17. Ligand: 3Y3 × 1 1-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-5-Chloro-1h- Imidazol-2-Yl]-2-Phenylethyl}-3-[2- (Aminomethyl)-5- Chlorobenzyl]urea PDB code: 4x6m(A).
		18. Ligand: 3Y4 × 1 Methyl (4-{4-Chloro-2-[(1s)-1-({3-[5-Chloro-2-(1h- Tetrazol-1-Yl)phenyl]propanoyl}amino)-2- Phenylethyl]- 1h-Imidazol-5-Yl}phenyl)carbamate PDB code: 4x6o(A).
		19. Ligand: 3Y5 × 1 1-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-5-Chloro-1h- Imidazol-2-Yl]-2-Phenylethyl}-3-[5-Chloro-2- (1h- Tetrazol-1-Yl)benzyl]urea PDB code: 4x6n(A).
		20. Ligand: 3YU × 1 (2e)-N-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-1h- Imidazol-2-Yl]-2-Phenylethyl}-3-[5-Chloro-2-(1h- Tetrazol-1-Yl)phenyl]prop-2-Enamide PDB code: 4x6p(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 5eod(A), 5i25(A).
		2. Ligand: NAG-NAG × 2 NAG=N-Acetyl-D-Glucosamine. PDB codes: 2f83(A), 6i58(A).
		3. Ligand: ASN-PRO-ILE-SER-ASP-PHE-PRO-ASP × 1 PDB code: 5i25(A).
		4. Ligand: GLU-PHE-PRO-ASP-PHE-PRO × 1 PDB code: 5eod(A).
		5. Ligand: HIS-ILE-TYR-PRO-ASP-PHE-PRO-THR-ASP × 1 PDB code: 5eok(A).
		6. Ligand: NAG-NAG-FUC × 1 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose. PDB code: 5eok(A).

Cluster 3 contains 13 ligand types

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 4crg(A), 4d7g(A),
		2. Ligand: GSH × 2 glutathione Glutathione PDB codes: 1zhm(A), 1zhp(A).
		3. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6ts4(A).
		4. Ligand: EDO × 42 1,2-Ethanediol PDB codes: 4ty6(A), 4x6n(A), 4x6o(A), 4y8x(A), 5q0d(A), 5q0e(A), 5q0f(A), 5q0h(A), 5qcl(A), 5qcm(A), 5qcn(A), 5qqo(A), 5qqp(A), 5qtt(A), 5qtv(A), 5qtw(A), 5qtx(A), 5qty(A), 5tks(A), 5tkt(A), 5tku(A), 5wb6(A), 6c0s(A), 6w50(A),
		5. Ligand: SO4 × 13 Sulfate ion PDB codes: 1zml(A), 1zpc(A), 1zrk(A), 4cr5(A), 4cr9(A), 4cra(A), 4crb(A), 4cre(A), 4crf(A), 4crg(A), 4d76(A), 4d7f(A).
		6. Ligand: CYS-THR-THR-LYS-ILE-LYS-PRO × 4 PDB codes: 4ty6(A), 4x6n(A), 5qqo(A), 5qtu(A).
		7. Ligand: BCT × 3 Bicarbonate ion PDB codes: 1zsk(A), 1ztj(A), 2fda(A).
		8. Ligand: GLU-CYS-THR-THR-LYS-ILE-LYS-PRO × 2 PDB codes: 6twb(A), 6twc(A).
		9. Ligand: CYS-THR-THR-LYS-ILE × 1 PDB code: 5q0f(A).
		10. Ligand: CYS-THR-THR-LYS-ILE-LYS × 1 PDB code: 5qtx(A).
		11. Ligand: FLC × 1 Citrate anion PDB code: 6vlv(A).
		12. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6i58(A).
_Co		13. Metal: _CO × 1 PDB code: 6aod(C).

Cluster 4 contains 8 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4crf(A), 4d76(A), 6aod(C).
		2. Ligand: NAG × 3 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 1xx9(A), 5eok(A), 5exn(A).
		3. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6ts4(A).
		4. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 1zmj(A).
		5. Ligand: EDO × 41 1,2-Ethanediol PDB codes: 4na8(A), 4ty6(A), 4ty7(A), 4wxi(A), 4x6m(A), 4x6n(A), 4x6o(A), 4y8x(A), 4y8y(A), 4y8z(A), 5e2o(A), 5e2p(A), 5exl(A), 5exm(A), 5q0d(A), 5q0e(A), 5q0f(A), 5q0g(A), 5q0h(A), 5qck(A), 5qcl(A), 5qcm(A), 5qcn(A), 5qqo(A), 5qqp(A), 5qtt(A), 5qtu(A), 5qtv(A), 5qtw(A), 5qtx(A), 5qty(A), 5tks(A), 5tkt(A), 5tku(A), 5wb6(A), 6c0s(A), 6w50(A).
		6. Ligand: SO4 × 6 Sulfate ion PDB codes: 1zmj(A), 1zml(A), 1ztj(A), 4cre(A), 4crg(A), 4d7f(A).
		7. Ligand: BCT × 1 Bicarbonate ion PDB code: 1zml(A).
		8. Ligand: PO4 × 1 Phosphate ion PDB code: 6aod(C).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: CIT × 3 citric acid Citric acid PDB codes: 3sor(A), 3sos(A), 6vlu(A).
		2. Ligand: EDO × 58 1,2-Ethanediol PDB codes: 4ty6(A), 4ty7(A), 4x6m(A), 4x6n(A), 4x6o(A), 4y8x(A), 4y8y(A), 4y8z(A), 5e2o(A), 5e2p(A), 5exl(A), 5exm(A), 5q0d(A), 5q0e(A), 5q0f(A), 5q0h(A), 5qck(A), 5qcl(A), 5qcm(A), 5qcn(A), 5qqo(A), 5qqp(A), 5qtt(A), 5qtu(A), 5qtv(A), 5qtw(A), 5qtx(A), 5qty(A), 5tks(A), 5tkt(A), 5tku(A), 5wb6(A), 6c0s(A), 6w50(A),
		3. Ligand: SO4 × 10 Sulfate ion PDB codes: 1zlr(A), 1zmn(A), 1zpc(A), 3bg8(A), 4cr5(A), 4cr9(A), 4cre(A), 6ts4(A), 6ts5(A), 6ts6(A).
		4. Ligand: PO4 × 1 Phosphate ion PDB code: 6aod(C).
_Na		5. Metal: _NA × 1 PDB code: 6ts4(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 6 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 2f83(A), 4x6p(A), 5eod(A), 5eok(A), 5i25(A), 6i58(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6aod(C).
		3. Ligand: EDO × 34 1,2-Ethanediol PDB codes: 4ty6(A), 4ty7(A), 4wxi(A), 4x6m(A), 4x6n(A), 4x6o(A), 4y8x(A), 4y8y(A), 4y8z(A), 5e2o(A), 5e2p(A), 5exl(A), 5exm(A), 5q0d(A), 5q0e(A), 5q0f(A), 5q0g(A), 5q0h(A), 5qcl(A), 5qcm(A), 5qcn(A), 5qqo(A), 5qqp(A), 5qtt(A), 5qtu(A), 5qtv(A), 5qtw(A), 5qtx(A), 5qty(A), 5tks(A), 5tkt(A), 5wb6(A), 6c0s(A), 6w50(A).